Geometry & MOs

Info

ID:	306003
PubChem CID:	125000058
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	5.05
IP(EA), eV:	-8.92(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methylthiophen-2-yl)-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCO[C@@H](C2)C3=NC(=CN3C)C

DOS

IR

Vibrations